Compound Detail
CHEMBL317356
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL317356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKDHVFZSRUETTG-UHFFFAOYSA-N |
2
Targets
5
Activities
3
Assay Types
0
PK Parameters
9
Publications
1
Known Names
Molecular Properties
336.3
MW (Da)
3.37
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.82
EC50 1 meas. best 4.01
Kd 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.82 | 7.1767 | 15.0 | 3 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Kd | 5.7 | 5.7 | 2000.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 15.0 | nM | 7.82 | Inhibition of HIV-1 reverse transcriptase using rCdG as template and dGTP as sub... | 8523406 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 15.0 | nM | 7.82 | Inhibition of HIV1 reverse transcriptase | 21207958 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of recombinant HIV-1 reverse transcriptase | 10636251 |
| Human immunodeficiency virus type 1 reverse transcriptase | Kd | = | 2000.0 | nM | 5.7 | Binding affinity to HIV1 reverse transcriptase by surface plasmon resonance base... | 21207958 |
| ADMET | EC50 | = | 98000.0 | nM | 4.01 | Antioxidant activity was evaluated by measuring the inhibition of oxidation of A... | 10636251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8523406 | 10.1021/jm00025a010 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 21207958 | 10.1021/jm101052g | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 12086483 | 10.1021/jm010580q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 10636251 | 10.1016/s0960-894x(99)00581-8 | ADMET | 1 |
| 10636251 | 10.1016/s0960-894x(99)00581-8 | CCRF-CEM | 1 |
| 10636251 | 10.1016/s0960-894x(99)00581-8 | NALM-6 | 1 |
| 10636251 | 10.1016/s0960-894x(99)00581-8 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 17307357 | 10.1016/j.bmcl.2007.01.103 | Human immunodeficiency virus 1 | 1 |
| - | 10.1007/s00044-007-9087-7 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine